data_1hef_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1hef _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' E' E ' 1' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 124.047 1.603 . . . . 28.56 114.456 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . 0.348 0.8 OUTLIER -111.17 117.05 32.18 Favored 'General case' 0 C--O 1.264 1.865 0 CA-C-N 110.704 -2.953 . . . . 52.58 112.113 -179.759 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.11 122.06 61.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 121.254 1.843 . . . . 27.33 112.91 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' THR . . . . . . . . . . . . . 39.5 p -87.69 160.65 18.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.278 -3.601 . . . . 26.22 101.278 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . 0.324 30.8 mt -101.16 20.77 15.06 Favored 'General case' 0 CA--C 1.49 -1.35 0 N-CA-C 119.831 3.271 . . . . 23.26 119.831 -173.835 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' TRP . . . . . 0.783 ' NE1' ' O ' ' E' ' 113' ' ' HOH . 61.3 m95 -62.78 -33.84 76.02 Favored 'General case' 0 C--N 1.382 2.002 1 O-C-N 129.527 4.267 . . . . 22.89 109.546 178.331 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' GLN . . . . . 0.656 ' OE1' ' O ' ' E' ' 116' ' ' HOH . 3.3 mt-30 -121.19 166.06 14.5 Favored 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 106.899 -1.519 . . . . 44.51 106.899 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' ARG . . . . . 0.434 ' NH2' ' CM ' ' I' ' 211' ' ' VME . 66.6 mtt180 -62.46 139.4 96.61 Favored Pre-proline 0 N--CA 1.514 2.741 0 C-N-CA 118.126 -1.429 . . . . 22.41 111.029 179.668 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' PRO . . . . . 0.597 ' CD ' ' O ' ' E' ' 102' ' ' HOH . 90.0 Cg_endo -79.46 93.39 1.08 Allowed 'Trans proline' 0 N--CA 1.518 2.964 0 CA-C-O 125.739 2.308 . . . . 19.34 110.251 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mt -102.21 138.92 38.52 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 114.233 -2.794 . . . . 21.19 108.973 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' VAL . . . . . . . . . . . . 0.418 0.4 OUTLIER -148.81 160.25 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.672 2 O-C-N 131.596 5.56 . . . . 22.25 105.844 -178.268 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 25.0 m -83.21 131.36 35.11 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.008 -1.906 . . . . 23.52 109.707 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.02 149.45 30.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 1 O-C-N 129.6 4.312 . . . . 26.02 105.781 177.178 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -126.48 114.08 17.67 Favored 'General case' 0 C--N 1.274 -2.683 0 N-CA-C 104.073 -2.566 . . . . 32.5 104.073 176.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' ILE . . . . . . . . . . . . 0.26 0.4 OUTLIER -131.15 128.15 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-O 123.733 1.73 . . . . 34.1 110.13 178.279 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.77 58.94 2.95 Favored Glycine 0 C--N 1.29 -2.014 0 CA-C-N 114.223 -1.353 . . . . 28.83 115.187 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.68 7.43 41.41 Favored Glycine 0 C--O 1.26 1.724 0 C-N-CA 125.335 1.445 . . . . 26.49 116.078 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -116.94 149.53 40.01 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 123.246 1.498 . . . . 36.18 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 129.5 53.92 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 113.525 -1.67 . . . . 24.07 108.752 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -143.31 167.79 21.33 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 115.945 -2.302 . . . . 30.16 108.657 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.2 138.69 45.17 Favored 'General case' 0 CA--C 1.559 1.294 1 O-C-N 129.297 4.123 . . . . 59.87 103.95 175.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.03 153.24 50.69 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 112.48 -2.145 . . . . 17.11 108.951 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' LEU . . . . . 0.64 ' CD2' ' O ' ' E' ' 102' ' ' HOH 0.364 0.4 OUTLIER -91.87 132.43 36.47 Favored 'General case' 0 C--O 1.291 3.259 0 C-N-CA 127.311 2.244 . . . . 29.53 107.896 177.557 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.34 112.17 19.07 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 103.081 -2.933 . . . . 29.01 103.081 177.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -113.26 102.32 10.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 125.655 2.645 . . . . 19.72 117.12 -177.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' THR . . . . . . . . . . . . . 70.5 p -71.61 -21.85 61.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 118.492 -2.63 . . . . 22.53 107.822 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.5 3.62 72.62 Favored Glycine 0 N--CA 1.48 1.613 0 O-C-N 124.626 1.204 . . . . 12.39 112.368 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.14 128.87 55.55 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 119.018 -2.46 . . . . 16.9 111.664 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' ASP . . . . . 0.907 ' OD2' ' N ' ' I' ' 201' ' ' ALA . 11.7 m-20 -72.97 -34.9 66.77 Favored 'General case' 0 C--N 1.267 -2.982 0 N-CA-C 105.182 -2.155 . . . . 23.86 105.182 178.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -126.02 166.54 16.77 Favored 'General case' 0 N--CA 1.494 1.748 1 O-C-N 129.52 4.262 . . . . 39.82 112.579 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 31' ' ' THR . . . . . . . . . . . . . 26.0 m -96.96 119.72 35.97 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 108.769 -3.832 . . . . 22.93 107.905 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -130.45 119.74 46.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 125.725 2.678 . . . . 32.75 109.168 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 33' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.89 153.08 28.5 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 112.238 -2.256 . . . . 33.56 105.996 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.23 158.24 36.21 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 128.174 3.421 . . . . 50.48 108.617 178.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -41.3 117.09 0.84 Allowed 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.798 -1.189 . . . . 49.9 110.389 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' ASN . . . . . . . . . . . . . 48.5 p-10 -138.31 163.85 30.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 100.466 -3.902 . . . . 42.46 100.466 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.62 103.32 15.98 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 128.639 3.712 . . . . 57.54 108.897 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -119.1 134.11 23.68 Favored Pre-proline 0 C--N 1.306 -1.318 0 CA-C-N 112.469 -2.15 . . . . 49.29 108.976 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -89.16 150.23 5.6 Favored 'Trans proline' 0 C--O 1.242 0.703 0 O-C-N 124.788 1.941 . . . . 50.21 111.378 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 -177.76 16.41 Favored Glycine 0 C--O 1.244 0.756 0 O-C-N 124.07 0.856 . . . . 48.64 111.244 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 41' ' ' ARG . . . . . 0.745 ' NH1' ' O ' ' E' ' 118' ' ' HOH . 0.0 OUTLIER -92.54 155.7 17.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.785 -1.932 . . . . 63.78 105.785 178.946 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -148.68 156.8 42.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.877 -1.897 . . . . 54.56 105.877 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -117.6 158.86 44.19 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-N 113.481 -1.69 . . . . 47.42 107.161 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.24 144.06 22.94 Favored 'Trans proline' 0 C--O 1.268 2.006 0 N-CA-C 106.344 -2.214 . . . . 44.2 106.344 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' E' ' 56' ' ' VAL . 39.5 tttt -159.69 162.62 35.1 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.582 -1.247 . . . . 42.73 108.639 179.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' MET . . . . . . . . . . . . . 2.7 mtp -133.26 135.35 44.89 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 126.433 2.333 . . . . 57.04 110.236 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 pt -120.39 143.3 32.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.615 3.166 . . . . 36.09 110.808 178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 48' ' ' GLY . . . . . 0.547 ' O ' ' CB ' ' I' ' 201' ' ' ALA . . . -110.95 159.09 13.98 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 105.765 -2.934 . . . . 31.25 105.765 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.74 -160.03 9.39 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 105.718 -2.953 . . . . 30.69 105.718 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 50' ' ' ILE . . . . . . . . . . . . 0.496 2.1 pp -69.98 -34.35 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.128 1 CA-C-O 104.742 -7.313 . . . . 46.74 113.139 -179.5 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.38 -9.45 56.74 Favored Glycine 1 C--N 1.253 -4.037 2 CA-C-N 142.049 11.295 . . . . 38.74 113.663 179.627 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' E' E ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.39 -150.68 18.72 Favored Glycine 0 N--CA 1.481 1.642 0 C-N-CA 117.623 -2.227 . . . . 37.66 112.822 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 53' ' ' PHE . . . . . 0.712 ' N ' ' CD1' ' E' ' 53' ' ' PHE . 0.1 OUTLIER -117.83 136.03 53.69 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 128.42 2.688 . . . . 43.72 109.681 -178.862 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 54' ' ' ILE . . . . . . . . . . . . . 12.8 pt -124.55 151.76 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.18 0 N-CA-C 102.156 -3.275 . . . . 42.19 102.156 177.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 55' ' ' LYS . . . . . 0.659 ' CE ' ' O ' ' E' ' 107' ' ' HOH . 0.0 OUTLIER -94.47 138.99 31.73 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 103.83 -2.656 . . . . 39.65 103.83 178.996 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 56' ' ' VAL . . . . . 0.481 ' N ' ' O ' ' E' ' 45' ' ' LYS . 18.0 m -132.54 179.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 106.599 -1.63 . . . . 35.68 106.599 -179.757 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -120.46 129.29 53.8 Favored 'General case' 0 CA--C 1.553 1.071 1 O-C-N 130.361 4.788 . . . . 64.07 106.26 177.735 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 58' ' ' GLN . . . . . . . . . . . . 0.423 0.0 OUTLIER -97.9 135.47 39.59 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 126.683 3.135 . . . . 50.74 107.62 179.272 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -126.82 127.43 44.98 Favored 'General case' 0 C--O 1.259 1.574 1 CA-C-N 107.304 -4.498 . . . . 39.97 101.883 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -112.01 158.33 19.67 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 111.717 -2.492 . . . . 55.08 106.034 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 62.11 33.07 17.24 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 127.863 3.227 . . . . 47.7 111.092 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 6.9 mm -89.84 131.29 37.48 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.071 0 O-C-N 124.99 1.431 . . . . 34.96 110.234 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 63' ' ' LEU . . . . . . . . . . . . . 24.9 tp -86.04 135.82 33.48 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 127.575 2.35 . . . . 31.76 106.921 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 64' ' ' ILE . . . . . . . . . . . . . 22.8 mt -144.65 145.77 20.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 126.346 2.279 . . . . 42.67 109.068 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 65' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -116.45 103.71 10.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 105.792 -1.929 . . . . 47.11 105.792 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 mt -97.66 111.48 27.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 O-C-N 129.027 3.954 . . . . 31.63 106.816 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 67' ' ' CYS . . . . . 0.547 ' C ' ' O ' ' E' ' 103' ' ' HOH . 1.6 t 46.86 55.1 8.27 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.699 -1.223 . . . . 53.74 107.699 179.216 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 68' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' E' ' 103' ' ' HOH . . . 73.44 -15.31 2.78 Favored Glycine 0 C--O 1.272 2.518 0 CA-C-O 116.169 -2.462 . . . . 40.44 113.818 179.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 124.3 33.3 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.442 3.121 . . . . 46.16 110.094 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 70' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -87.05 149.01 25.03 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 126.143 2.152 . . . . 54.2 106.48 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.62 158.0 25.49 Favored 'General case' 0 C--N 1.291 -1.964 1 O-C-N 131.061 5.225 . . . . 26.87 105.492 -179.867 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.11 139.05 52.88 Favored 'Isoleucine or valine' 0 C--O 1.262 1.734 0 O-C-N 126.677 2.486 . . . . 27.94 106.763 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.39 -168.36 40.77 Favored Glycine 0 N--CA 1.486 2.016 0 C-N-CA 114.997 -3.478 . . . . 21.77 109.404 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 74' ' ' THR . . . . . . . . . . . . . 22.5 m -81.99 132.06 35.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 109.695 -3.253 . . . . 30.82 107.883 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.92 124.97 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 1 C-N-CA 133.216 4.607 . . . . 26.42 110.462 179.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -104.41 129.63 52.34 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 114.895 -1.048 . . . . 30.9 109.684 179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.45 136.18 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.173 -1.417 . . . . 32.79 107.173 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.45 -168.02 38.9 Favored Glycine 0 N--CA 1.47 0.957 0 CA-C-O 124.069 1.927 . . . . 34.33 113.503 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 79' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -83.82 74.82 4.35 Favored 'Trans proline' 0 CA--C 1.496 -1.415 0 C-N-CA 122.388 2.059 . . . . 36.15 114.789 -177.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 80' ' ' THR . . . . . . . . . . . . . 1.1 t -107.74 146.0 32.49 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 105.158 -2.164 . . . . 35.69 105.158 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 81' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -23.98 33.13 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 O-C-N 125.0 2.053 . . . . 33.63 109.911 178.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.43 158.42 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.148 1.379 . . . . 32.94 112.478 179.697 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 83' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -81.65 120.59 25.28 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 101.212 -3.625 . . . . 25.93 101.212 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 84' ' ' ILE . . . . . 0.545 ' CD1' ' O ' ' E' ' 108' ' ' HOH . 62.4 mt -113.46 129.91 68.4 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 O-C-N 126.683 2.49 . . . . 21.59 113.739 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 85' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' E' ' 109' ' ' HOH . 47.6 mm -102.41 112.44 35.72 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 N-CA-C 102.558 -3.127 . . . . 21.89 102.558 176.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 86' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' E' ' 109' ' ' HOH . . . -98.48 -178.58 32.59 Favored Glycine 0 C--N 1.285 -2.262 1 CA-C-O 130.35 5.417 . . . . 18.9 118.65 179.519 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 87' ' ' ARG . . . . . . . . . . . . 0.309 28.0 mtm105 -51.83 -34.68 41.52 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 119.826 3.269 . . . . 24.83 119.826 -176.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -59.74 -34.92 73.57 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 122.421 1.105 . . . . 29.74 110.718 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 89' ' ' LEU . . . . . . . . . . . . 0.345 74.4 mt -89.38 -47.49 7.98 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 117.134 -1.413 . . . . 40.71 112.931 178.808 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 90' ' ' LEU . . . . . . . . . . . . . 28.2 mt -49.33 -35.66 18.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.95 2.309 . . . . 22.79 114.608 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 91' ' ' THR . . . . . . . . . . . . . 46.3 p -67.6 -44.07 78.97 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 112.274 -2.239 . . . . 28.12 106.623 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 92' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -55.35 -36.01 65.85 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 116.549 -2.06 . . . . 43.82 116.202 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 93' ' ' ILE . . . . . . . . . . . . 0.304 1.8 pt -92.63 12.03 2.86 Favored 'Isoleucine or valine' 0 C--O 1.28 2.682 0 N-CA-C 116.837 2.162 . . . . 30.42 116.837 -179.652 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.35 34.42 88.16 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 126.496 1.998 . . . . 25.67 116.294 177.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 95' ' ' CYS . . . . . . . . . . . . . 51.7 t -78.18 126.18 30.42 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 127.586 2.354 . . . . 35.36 114.033 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 96' ' ' THR . . . . . . . . . . . . . 68.6 p -130.97 165.06 23.97 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.401 -1.72 . . . . 24.79 111.512 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tp -103.73 133.35 48.88 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.484 -2.413 . . . . 28.6 104.484 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 98' ' ' ASN . . . . . 0.561 ' N ' ' ND2' ' E' ' 98' ' ' ASN . 0.1 OUTLIER -134.64 143.71 47.45 Favored 'General case' 0 C--O 1.206 -1.225 0 N-CA-C 106.707 -1.59 . . . . 44.47 106.707 179.964 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' E' E ' 99' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' E' ' 99' ' ' PHE . 26.2 p90 . . . . . 0 C--O 1.282 2.806 0 O-C-N 127.674 3.109 . . . . 39.69 109.946 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 201' ' ' ALA . . . . . 0.907 ' N ' ' OD2' ' E' ' 29' ' ' ASP . . . . . . . . 0 CA--C 1.561 1.365 0 CA-C-O 114.581 -2.628 . . . . 18.0 112.095 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 202' ' ' ALA . . . . . . . . . . . . . . . -62.11 113.53 2.9 Favored 'General case' 0 N--CA 1.387 -3.581 2 C-N-CA 151.402 11.881 . . . . 18.01 111.996 -176.241 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 205' ' ' PJJ . . . . . 0.767 ' C19' ' O ' ' I' ' 211' ' ' VME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 210' ' ' VAL . . . . . . . . . . . . . 1.3 t -120.28 129.71 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 103.974 -2.602 . . . . 18.02 103.974 176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 211' ' ' VME . . . . . 1.201 ' CG1' ' CM ' ' I' ' 211' ' ' VME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . 0.64 ' O ' ' CD2' ' E' ' 23' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . 0.554 ' O ' ' N ' ' E' ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 107' ' ' HOH . . . . . 0.659 ' O ' ' CE ' ' E' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 108' ' ' HOH . . . . . 0.545 ' O ' ' CD1' ' E' ' 84' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 109' ' ' HOH . . . . . 0.656 ' O ' ' N ' ' E' ' 86' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 111' ' ' HOH . . . . . 0.577 ' O ' ' CZ ' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 113' ' ' HOH . . . . . 0.783 ' O ' ' NE1' ' E' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 116' ' ' HOH . . . . . 0.656 ' O ' ' OE1' ' E' ' 7' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 118' ' ' HOH . . . . . 0.745 ' O ' ' NH1' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 124.047 1.603 . . . . 28.56 114.456 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . 0.348 0.8 OUTLIER -111.17 117.05 32.18 Favored 'General case' 0 C--O 1.264 1.865 0 CA-C-N 110.704 -2.953 . . . . 52.58 112.113 -179.759 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.11 122.06 61.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 121.254 1.843 . . . . 27.33 112.91 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 4' ' ' THR . . . . . . . . . . . . . 39.5 p -87.69 160.65 18.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.278 -3.601 . . . . 26.22 101.278 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . 0.324 30.8 mt -101.16 20.77 15.06 Favored 'General case' 0 CA--C 1.49 -1.35 0 N-CA-C 119.831 3.271 . . . . 23.26 119.831 -173.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 6' ' ' TRP . . . . . 0.68 ' NE1' ' O ' ' E' ' 113' ' ' HOH . 61.3 m95 -62.78 -33.84 76.02 Favored 'General case' 0 C--N 1.382 2.002 1 O-C-N 129.527 4.267 . . . . 22.89 109.546 178.331 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 7' ' ' GLN . . . . . 0.656 ' OE1' ' O ' ' E' ' 116' ' ' HOH . 3.3 mt-30 -121.19 166.06 14.5 Favored 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 106.899 -1.519 . . . . 44.51 106.899 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 8' ' ' ARG . . . . . 0.632 HH21 HMC2 ' I' ' 211' ' ' VME . 66.6 mtt180 -62.46 139.4 96.61 Favored Pre-proline 0 N--CA 1.514 2.741 0 C-N-CA 118.126 -1.429 . . . . 22.41 111.029 179.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 9' ' ' PRO . . . . . 0.796 ' HD2' ' O ' ' E' ' 102' ' ' HOH . 90.0 Cg_endo -79.46 93.39 1.08 Allowed 'Trans proline' 0 N--CA 1.518 2.964 0 CA-C-O 125.739 2.308 . . . . 19.34 110.251 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 10' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' E' ' 10' ' ' LEU . 5.0 mt -102.21 138.92 38.52 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 114.233 -2.794 . . . . 21.19 108.973 -177.534 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 11' ' ' VAL . . . . . . . . . . . . 0.418 0.4 OUTLIER -148.81 160.25 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.672 2 O-C-N 131.596 5.56 . . . . 22.25 105.844 -178.268 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 25.0 m -83.21 131.36 35.11 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.008 -1.906 . . . . 23.52 109.707 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' E' ' 65' ' ' GLU . 0.4 OUTLIER -126.02 149.45 30.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 1 O-C-N 129.6 4.312 . . . . 26.02 105.781 177.178 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 14' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' E' ' 106' ' ' HOH . 73.9 tttt -126.48 114.08 17.67 Favored 'General case' 0 C--N 1.274 -2.683 0 N-CA-C 104.073 -2.566 . . . . 32.5 104.073 176.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 15' ' ' ILE . . . . . 1.1 HG23 HG12 ' E' ' 64' ' ' ILE 0.26 0.4 OUTLIER -131.15 128.15 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-O 123.733 1.73 . . . . 34.1 110.13 178.279 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.77 58.94 2.95 Favored Glycine 0 C--N 1.29 -2.014 0 CA-C-N 114.223 -1.353 . . . . 28.83 115.187 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.68 7.43 41.41 Favored Glycine 0 C--O 1.26 1.724 0 C-N-CA 125.335 1.445 . . . . 26.49 116.078 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -116.94 149.53 40.01 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 123.246 1.498 . . . . 36.18 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 129.5 53.92 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 113.525 -1.67 . . . . 24.07 108.752 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 20' ' ' LYS . . . . . 1.024 ' HD2' HD11 ' E' ' 15' ' ' ILE . 1.3 mttp -143.31 167.79 21.33 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 115.945 -2.302 . . . . 30.16 108.657 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.2 138.69 45.17 Favored 'General case' 0 CA--C 1.559 1.294 1 O-C-N 129.297 4.123 . . . . 59.87 103.95 175.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.03 153.24 50.69 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 112.48 -2.145 . . . . 17.11 108.951 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' LEU . . . . . 0.645 HD22 ' O ' ' E' ' 102' ' ' HOH 0.364 0.4 OUTLIER -91.87 132.43 36.47 Favored 'General case' 0 C--O 1.291 3.259 0 C-N-CA 127.311 2.244 . . . . 29.53 107.896 177.557 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.34 112.17 19.07 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 103.081 -2.933 . . . . 29.01 103.081 177.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 25' ' ' ASP . . . . . 0.587 ' OD2' ' H14' ' I' ' 205' ' ' PJJ . 49.8 t0 -113.26 102.32 10.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 125.655 2.645 . . . . 19.72 117.12 -177.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 26' ' ' THR . . . . . . . . . . . . . 70.5 p -71.61 -21.85 61.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 118.492 -2.63 . . . . 22.53 107.822 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.5 3.62 72.62 Favored Glycine 0 N--CA 1.48 1.613 0 O-C-N 124.626 1.204 . . . . 12.39 112.368 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.14 128.87 55.55 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 119.018 -2.46 . . . . 16.9 111.664 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' ASP . . . . . 0.907 ' OD2' ' N ' ' I' ' 201' ' ' ALA . 11.7 m-20 -72.97 -34.9 66.77 Favored 'General case' 0 C--N 1.267 -2.982 0 N-CA-C 105.182 -2.155 . . . . 23.86 105.182 178.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -126.02 166.54 16.77 Favored 'General case' 0 N--CA 1.494 1.748 1 O-C-N 129.52 4.262 . . . . 39.82 112.579 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 31' ' ' THR . . . . . 0.608 HG21 HD12 ' E' ' 89' ' ' LEU . 26.0 m -96.96 119.72 35.97 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 108.769 -3.832 . . . . 22.93 107.905 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 32' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' E' ' 76' ' ' LEU . 2.4 p -130.45 119.74 46.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 125.725 2.678 . . . . 32.75 109.168 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 33' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.89 153.08 28.5 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 112.238 -2.256 . . . . 33.56 105.996 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' OD1' ' E' ' 83' ' ' ASN . 0.0 OUTLIER -70.23 158.24 36.21 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 128.174 3.421 . . . . 50.48 108.617 178.37 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -41.3 117.09 0.84 Allowed 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.798 -1.189 . . . . 49.9 110.389 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 36' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.31 163.85 30.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 100.466 -3.902 . . . . 42.46 100.466 179.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.62 103.32 15.98 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 128.639 3.712 . . . . 57.54 108.897 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -119.1 134.11 23.68 Favored Pre-proline 0 C--N 1.306 -1.318 0 CA-C-N 112.469 -2.15 . . . . 49.29 108.976 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -89.16 150.23 5.6 Favored 'Trans proline' 0 C--O 1.242 0.703 0 O-C-N 124.788 1.941 . . . . 50.21 111.378 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 -177.76 16.41 Favored Glycine 0 C--O 1.244 0.756 0 O-C-N 124.07 0.856 . . . . 48.64 111.244 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 41' ' ' ARG . . . . . 0.943 ' HD2' ' O ' ' E' ' 118' ' ' HOH . 0.0 OUTLIER -92.54 155.7 17.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.785 -1.932 . . . . 63.78 105.785 178.946 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 42' ' ' TRP . . . . . 0.614 ' CE3' ' HB3' ' E' ' 57' ' ' ARG . 59.7 p-90 -148.68 156.8 42.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.877 -1.897 . . . . 54.56 105.877 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -117.6 158.86 44.19 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-N 113.481 -1.69 . . . . 47.42 107.161 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.24 144.06 22.94 Favored 'Trans proline' 0 C--O 1.268 2.006 0 N-CA-C 106.344 -2.214 . . . . 44.2 106.344 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 45' ' ' LYS . . . . . 0.517 ' HD3' ' HG2' ' E' ' 58' ' ' GLN . 39.5 tttt -159.69 162.62 35.1 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.582 -1.247 . . . . 42.73 108.639 179.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 46' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' E' ' 45' ' ' LYS . 2.7 mtp -133.26 135.35 44.89 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 126.433 2.333 . . . . 57.04 110.236 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 47' ' ' ILE . . . . . 0.637 HD11 HD11 ' E' ' 54' ' ' ILE . 12.6 pt -120.39 143.3 32.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.615 3.166 . . . . 36.09 110.808 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 48' ' ' GLY . . . . . 0.58 ' O ' ' HB1' ' I' ' 201' ' ' ALA . . . -110.95 159.09 13.98 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 105.765 -2.934 . . . . 31.25 105.765 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.74 -160.03 9.39 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 105.718 -2.953 . . . . 30.69 105.718 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 50' ' ' ILE . . . . . 0.93 HG12 HG13 ' I' ' 210' ' ' VAL 0.496 2.1 pp -69.98 -34.35 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.128 1 CA-C-O 104.742 -7.313 . . . . 46.74 113.139 -179.5 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.38 -9.45 56.74 Favored Glycine 1 C--N 1.253 -4.037 2 CA-C-N 142.049 11.295 . . . . 38.74 113.663 179.627 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' E' E ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.39 -150.68 18.72 Favored Glycine 0 N--CA 1.481 1.642 0 C-N-CA 117.623 -2.227 . . . . 37.66 112.822 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 53' ' ' PHE . . . . . 0.712 ' CD1' ' N ' ' E' ' 53' ' ' PHE . 0.1 OUTLIER -117.83 136.03 53.69 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 128.42 2.688 . . . . 43.72 109.681 -178.862 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 54' ' ' ILE . . . . . 0.637 HD11 HD11 ' E' ' 47' ' ' ILE . 12.8 pt -124.55 151.76 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.18 0 N-CA-C 102.156 -3.275 . . . . 42.19 102.156 177.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 55' ' ' LYS . . . . . 0.659 ' CE ' ' O ' ' E' ' 107' ' ' HOH . 0.0 OUTLIER -94.47 138.99 31.73 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 103.83 -2.656 . . . . 39.65 103.83 178.996 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.54 179.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 106.599 -1.63 . . . . 35.68 106.599 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 57' ' ' ARG . . . . . 0.614 ' HB3' ' CE3' ' E' ' 42' ' ' TRP . 4.5 mtt180 -120.46 129.29 53.8 Favored 'General case' 0 CA--C 1.553 1.071 1 O-C-N 130.361 4.788 . . . . 64.07 106.26 177.735 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 58' ' ' GLN . . . . . 0.517 ' HG2' ' HD3' ' E' ' 45' ' ' LYS 0.423 0.0 OUTLIER -97.9 135.47 39.59 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 126.683 3.135 . . . . 50.74 107.62 179.272 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -126.82 127.43 44.98 Favored 'General case' 0 C--O 1.259 1.574 1 CA-C-N 107.304 -4.498 . . . . 39.97 101.883 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -112.01 158.33 19.67 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 111.717 -2.492 . . . . 55.08 106.034 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 61' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 62.11 33.07 17.24 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 127.863 3.227 . . . . 47.7 111.092 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 6.9 mm -89.84 131.29 37.48 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.071 0 O-C-N 124.99 1.431 . . . . 34.96 110.234 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 63' ' ' LEU . . . . . . . . . . . . . 24.9 tp -86.04 135.82 33.48 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 127.575 2.35 . . . . 31.76 106.921 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 64' ' ' ILE . . . . . 1.1 HG12 HG23 ' E' ' 15' ' ' ILE . 22.8 mt -144.65 145.77 20.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 126.346 2.279 . . . . 42.67 109.068 177.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 65' ' ' GLU . . . . . 0.451 ' HG2' ' HG2' ' E' ' 70' ' ' LYS . 4.7 mt-10 -116.45 103.71 10.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 105.792 -1.929 . . . . 47.11 105.792 177.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 66' ' ' ILE . . . . . 0.454 HG13 HG22 ' E' ' 64' ' ' ILE . 13.3 mt -97.66 111.48 27.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 O-C-N 129.027 3.954 . . . . 31.63 106.816 179.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 67' ' ' CYS . . . . . 0.547 ' C ' ' O ' ' E' ' 103' ' ' HOH . 1.6 t 46.86 55.1 8.27 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.699 -1.223 . . . . 53.74 107.699 179.216 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 68' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' E' ' 103' ' ' HOH . . . 73.44 -15.31 2.78 Favored Glycine 0 C--O 1.272 2.518 0 CA-C-O 116.169 -2.462 . . . . 40.44 113.818 179.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 124.3 33.3 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.442 3.121 . . . . 46.16 110.094 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 70' ' ' LYS . . . . . 0.451 ' HG2' ' HG2' ' E' ' 65' ' ' GLU . 13.3 mttt -87.05 149.01 25.03 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 126.143 2.152 . . . . 54.2 106.48 -179.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.62 158.0 25.49 Favored 'General case' 0 C--N 1.291 -1.964 1 O-C-N 131.061 5.225 . . . . 26.87 105.492 -179.867 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 72' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.11 139.05 52.88 Favored 'Isoleucine or valine' 0 C--O 1.262 1.734 0 O-C-N 126.677 2.486 . . . . 27.94 106.763 177.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.39 -168.36 40.77 Favored Glycine 0 N--CA 1.486 2.016 0 C-N-CA 114.997 -3.478 . . . . 21.77 109.404 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 74' ' ' THR . . . . . . . . . . . . . 22.5 m -81.99 132.06 35.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 109.695 -3.253 . . . . 30.82 107.883 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.92 124.97 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 1 C-N-CA 133.216 4.607 . . . . 26.42 110.462 179.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 76' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' E' ' 32' ' ' VAL . 91.4 mt -104.41 129.63 52.34 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 114.895 -1.048 . . . . 30.9 109.684 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.45 136.18 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.173 -1.417 . . . . 32.79 107.173 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.45 -168.02 38.9 Favored Glycine 0 N--CA 1.47 0.957 0 CA-C-O 124.069 1.927 . . . . 34.33 113.503 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 79' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' E' ' 54' ' ' ILE . 7.8 Cg_endo -83.82 74.82 4.35 Favored 'Trans proline' 0 CA--C 1.496 -1.415 0 C-N-CA 122.388 2.059 . . . . 36.15 114.789 -177.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 80' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' E' ' 81' ' ' PRO . 1.1 t -107.74 146.0 32.49 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 105.158 -2.164 . . . . 35.69 105.158 179.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 81' ' ' PRO . . . . . 0.565 ' HG2' ' H21' ' I' ' 205' ' ' PJJ . 1.0 OUTLIER -69.12 -23.98 33.13 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 O-C-N 125.0 2.053 . . . . 33.63 109.911 178.698 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.43 158.42 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.148 1.379 . . . . 32.94 112.478 179.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 83' ' ' ASN . . . . . 0.535 ' OD1' ' HG3' ' E' ' 34' ' ' GLU . 82.4 m-20 -81.65 120.59 25.28 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 101.212 -3.625 . . . . 25.93 101.212 177.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 84' ' ' ILE . . . . . 0.818 HD12 ' O ' ' E' ' 108' ' ' HOH . 62.4 mt -113.46 129.91 68.4 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 O-C-N 126.683 2.49 . . . . 21.59 113.739 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 85' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' E' ' 109' ' ' HOH . 47.6 mm -102.41 112.44 35.72 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 N-CA-C 102.558 -3.127 . . . . 21.89 102.558 176.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 86' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' E' ' 109' ' ' HOH . . . -98.48 -178.58 32.59 Favored Glycine 0 C--N 1.285 -2.262 1 CA-C-O 130.35 5.417 . . . . 18.9 118.65 179.519 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 87' ' ' ARG . . . . . . . . . . . . 0.309 28.0 mtm105 -51.83 -34.68 41.52 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 119.826 3.269 . . . . 24.83 119.826 -176.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -59.74 -34.92 73.57 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 122.421 1.105 . . . . 29.74 110.718 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 89' ' ' LEU . . . . . 0.714 ' HB2' ' O ' ' E' ' 109' ' ' HOH 0.345 74.4 mt -89.38 -47.49 7.98 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 117.134 -1.413 . . . . 40.71 112.931 178.808 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 90' ' ' LEU . . . . . . . . . . . . . 28.2 mt -49.33 -35.66 18.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.95 2.309 . . . . 22.79 114.608 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 91' ' ' THR . . . . . . . . . . . . . 46.3 p -67.6 -44.07 78.97 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 112.274 -2.239 . . . . 28.12 106.623 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 92' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -55.35 -36.01 65.85 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 116.549 -2.06 . . . . 43.82 116.202 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 93' ' ' ILE . . . . . . . . . . . . 0.304 1.8 pt -92.63 12.03 2.86 Favored 'Isoleucine or valine' 0 C--O 1.28 2.682 0 N-CA-C 116.837 2.162 . . . . 30.42 116.837 -179.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.35 34.42 88.16 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 126.496 1.998 . . . . 25.67 116.294 177.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 95' ' ' CYS . . . . . . . . . . . . . 51.7 t -78.18 126.18 30.42 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 127.586 2.354 . . . . 35.36 114.033 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 96' ' ' THR . . . . . . . . . . . . . 68.6 p -130.97 165.06 23.97 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.401 -1.72 . . . . 24.79 111.512 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tp -103.73 133.35 48.88 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.484 -2.413 . . . . 28.6 104.484 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 98' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' E' ' 98' ' ' ASN . 0.9 OUTLIER -134.64 143.71 47.45 Favored 'General case' 0 C--O 1.206 -1.225 0 N-CA-C 106.707 -1.59 . . . . 44.47 106.707 179.964 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' E' E ' 99' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' E' ' 99' ' ' PHE . 26.2 p90 . . . . . 0 C--O 1.282 2.806 0 O-C-N 127.674 3.109 . . . . 39.69 109.946 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 201' ' ' ALA . . . . . 0.907 ' N ' ' OD2' ' E' ' 29' ' ' ASP . . . . . . . . 0 CA--C 1.561 1.365 0 CA-C-O 114.581 -2.628 . . . . 18.0 112.095 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 202' ' ' ALA . . . . . . . . . . . . . . . -62.11 113.53 2.9 Favored 'General case' 0 N--CA 1.387 -3.581 2 C-N-CA 151.402 11.881 . . . . 18.01 111.996 -176.241 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 205' ' ' PJJ . . . . . 0.767 ' C19' ' O ' ' I' ' 211' ' ' VME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 210' ' ' VAL . . . . . 0.93 HG13 HG12 ' E' ' 50' ' ' ILE . 1.3 t -120.28 129.71 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 103.974 -2.602 . . . . 18.02 103.974 176.709 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 211' ' ' VME . . . . . 0.767 ' O ' ' C19' ' I' ' 205' ' ' PJJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . 0.796 ' O ' ' HD2' ' E' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . 0.554 ' O ' ' N ' ' E' ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 106' ' ' HOH . . . . . 0.405 ' O ' ' HE2' ' E' ' 14' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 107' ' ' HOH . . . . . 0.659 ' O ' ' CE ' ' E' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 108' ' ' HOH . . . . . 0.818 ' O ' HD12 ' E' ' 84' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 109' ' ' HOH . . . . . 0.714 ' O ' ' HB2' ' E' ' 89' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 111' ' ' HOH . . . . . 0.577 ' O ' ' CZ ' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 113' ' ' HOH . . . . . 0.68 ' O ' ' NE1' ' E' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 116' ' ' HOH . . . . . 0.656 ' O ' ' OE1' ' E' ' 7' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 118' ' ' HOH . . . . . 0.943 ' O ' ' HD2' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' PRO . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 124.047 1.603 . . . . 28.56 114.456 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' GLN . . . . . . . . . . . . 0.348 0.8 OUTLIER -111.17 117.05 32.18 Favored 'General case' 0 C--O 1.264 1.865 0 CA-C-N 110.704 -2.953 . . . . 52.58 112.113 -179.759 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.11 122.06 61.99 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 121.254 1.843 . . . . 27.33 112.91 179.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' THR . . . . . . . . . . . . . 39.5 p -87.69 160.65 18.03 Favored 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 101.278 -3.601 . . . . 26.22 101.278 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' LEU . . . . . . . . . . . . 0.324 30.8 mt -101.16 20.77 15.06 Favored 'General case' 0 CA--C 1.49 -1.35 0 N-CA-C 119.831 3.271 . . . . 23.26 119.831 -173.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' TRP . . . . . 0.68 ' NE1' ' O ' ' E' ' 113' ' ' HOH . 61.3 m95 -62.78 -33.84 76.02 Favored 'General case' 0 C--N 1.382 2.002 1 O-C-N 129.527 4.267 . . . . 22.89 109.546 178.331 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' GLN . . . . . 0.656 ' OE1' ' O ' ' E' ' 116' ' ' HOH . 3.3 mt-30 -121.19 166.06 14.5 Favored 'General case' 0 N--CA 1.507 2.422 0 N-CA-C 106.899 -1.519 . . . . 44.51 106.899 178.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' ARG . . . . . 0.632 HH21 HMC2 ' I' ' 211' ' ' VME . 66.6 mtt180 -62.46 139.4 96.61 Favored Pre-proline 0 N--CA 1.514 2.741 0 C-N-CA 118.126 -1.429 . . . . 22.41 111.029 179.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.796 ' HD2' ' O ' ' E' ' 102' ' ' HOH . 90.0 Cg_endo -79.46 93.39 1.08 Allowed 'Trans proline' 0 N--CA 1.518 2.964 0 CA-C-O 125.739 2.308 . . . . 19.34 110.251 178.183 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' E' ' 10' ' ' LEU . 5.0 mt -102.21 138.92 38.52 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 114.233 -2.794 . . . . 21.19 108.973 -177.534 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' VAL . . . . . . . . . . . . 0.418 0.4 OUTLIER -148.81 160.25 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.672 2 O-C-N 131.596 5.56 . . . . 22.25 105.844 -178.268 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' THR . . . . . . . . . . . . . 25.0 m -83.21 131.36 35.11 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 113.008 -1.906 . . . . 23.52 109.707 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' E' ' 65' ' ' GLU . 0.4 OUTLIER -126.02 149.45 30.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.981 1 O-C-N 129.6 4.312 . . . . 26.02 105.781 177.178 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' E' ' 106' ' ' HOH . 73.9 tttt -126.48 114.08 17.67 Favored 'General case' 0 C--N 1.274 -2.683 0 N-CA-C 104.073 -2.566 . . . . 32.5 104.073 176.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' ILE . . . . . 1.1 HG23 HG12 ' E' ' 64' ' ' ILE 0.26 0.4 OUTLIER -131.15 128.15 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-O 123.733 1.73 . . . . 34.1 110.13 178.279 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.77 58.94 2.95 Favored Glycine 0 C--N 1.29 -2.014 0 CA-C-N 114.223 -1.353 . . . . 28.83 115.187 178.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.68 7.43 41.41 Favored Glycine 0 C--O 1.26 1.724 0 C-N-CA 125.335 1.445 . . . . 26.49 116.078 177.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -116.94 149.53 40.01 Favored 'General case' 0 CA--C 1.561 1.382 0 CA-C-O 123.246 1.498 . . . . 36.18 110.134 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.72 129.5 53.92 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-N 113.525 -1.67 . . . . 24.07 108.752 -179.522 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' LYS . . . . . 1.024 ' HD2' HD11 ' E' ' 15' ' ' ILE . 1.3 mttp -143.31 167.79 21.33 Favored 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 115.945 -2.302 . . . . 30.16 108.657 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -109.2 138.69 45.17 Favored 'General case' 0 CA--C 1.559 1.294 1 O-C-N 129.297 4.123 . . . . 59.87 103.95 175.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' ALA . . . . . . . . . . . . . . . -137.03 153.24 50.69 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 112.48 -2.145 . . . . 17.11 108.951 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' LEU . . . . . 0.645 HD22 ' O ' ' E' ' 102' ' ' HOH 0.364 0.4 OUTLIER -91.87 132.43 36.47 Favored 'General case' 0 C--O 1.291 3.259 0 C-N-CA 127.311 2.244 . . . . 29.53 107.896 177.557 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.34 112.17 19.07 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 103.081 -2.933 . . . . 29.01 103.081 177.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' ASP . . . . . 0.587 ' OD2' ' H14' ' I' ' 205' ' ' PJJ . 49.8 t0 -113.26 102.32 10.24 Favored 'General case' 0 C--N 1.294 -1.822 0 CA-C-O 125.655 2.645 . . . . 19.72 117.12 -177.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' THR . . . . . . . . . . . . . 70.5 p -71.61 -21.85 61.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 118.492 -2.63 . . . . 22.53 107.822 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . -80.5 3.62 72.62 Favored Glycine 0 N--CA 1.48 1.613 0 O-C-N 124.626 1.204 . . . . 12.39 112.368 179.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.14 128.87 55.55 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 119.018 -2.46 . . . . 16.9 111.664 -178.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' ASP . . . . . 0.907 ' OD2' ' N ' ' I' ' 201' ' ' ALA . 11.7 m-20 -72.97 -34.9 66.77 Favored 'General case' 0 C--N 1.267 -2.982 0 N-CA-C 105.182 -2.155 . . . . 23.86 105.182 178.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -126.02 166.54 16.77 Favored 'General case' 0 N--CA 1.494 1.748 1 O-C-N 129.52 4.262 . . . . 39.82 112.579 179.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 31' ' ' THR . . . . . 0.608 HG21 HD12 ' E' ' 89' ' ' LEU . 26.0 m -96.96 119.72 35.97 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 108.769 -3.832 . . . . 22.93 107.905 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 32' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' E' ' 76' ' ' LEU . 2.4 p -130.45 119.74 46.83 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.22 0 CA-C-O 125.725 2.678 . . . . 32.75 109.168 -178.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 33' ' ' LEU . . . . . . . . . . . . . 17.5 mt -112.89 153.08 28.5 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 112.238 -2.256 . . . . 33.56 105.996 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' GLU . . . . . 0.535 ' HG3' ' OD1' ' E' ' 83' ' ' ASN . 0.0 OUTLIER -70.23 158.24 36.21 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 128.174 3.421 . . . . 50.48 108.617 178.37 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -41.3 117.09 0.84 Allowed 'General case' 0 C--N 1.308 -1.236 0 O-C-N 120.798 -1.189 . . . . 49.9 110.389 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' ASN . . . . . 0.496 HD22 ' HE2' ' E' ' 20' ' ' LYS . 48.5 p-10 -138.31 163.85 30.75 Favored 'General case' 0 N--CA 1.505 2.3 0 N-CA-C 100.466 -3.902 . . . . 42.46 100.466 179.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.62 103.32 15.98 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 128.639 3.712 . . . . 57.54 108.897 179.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 38' ' ' LEU . . . . . . . . . . . . . 12.0 tp -119.1 134.11 23.68 Favored Pre-proline 0 C--N 1.306 -1.318 0 CA-C-N 112.469 -2.15 . . . . 49.29 108.976 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -89.16 150.23 5.6 Favored 'Trans proline' 0 C--O 1.242 0.703 0 O-C-N 124.788 1.941 . . . . 50.21 111.378 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.74 -177.76 16.41 Favored Glycine 0 C--O 1.244 0.756 0 O-C-N 124.07 0.856 . . . . 48.64 111.244 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 41' ' ' ARG . . . . . 0.943 ' HD2' ' O ' ' E' ' 118' ' ' HOH . 0.0 OUTLIER -92.54 155.7 17.63 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 105.785 -1.932 . . . . 63.78 105.785 178.946 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' TRP . . . . . 0.614 ' CE3' ' HB3' ' E' ' 57' ' ' ARG . 59.7 p-90 -148.68 156.8 42.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 105.877 -1.897 . . . . 54.56 105.877 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -117.6 158.86 44.19 Favored Pre-proline 0 N--CA 1.493 1.716 0 CA-C-N 113.481 -1.69 . . . . 47.42 107.161 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.24 144.06 22.94 Favored 'Trans proline' 0 C--O 1.268 2.006 0 N-CA-C 106.344 -2.214 . . . . 44.2 106.344 179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' LYS . . . . . 0.668 ' HD2' HE21 ' E' ' 58' ' ' GLN . 39.5 tttt -159.69 162.62 35.1 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 118.582 -1.247 . . . . 42.73 108.639 179.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' MET . . . . . 0.435 ' N ' ' HG2' ' E' ' 45' ' ' LYS . 2.7 mtp -133.26 135.35 44.89 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 126.433 2.333 . . . . 57.04 110.236 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' ILE . . . . . 0.637 HD11 HD11 ' E' ' 54' ' ' ILE . 12.6 pt -120.39 143.3 32.73 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.615 3.166 . . . . 36.09 110.808 178.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 48' ' ' GLY . . . . . 0.58 ' O ' ' HB1' ' I' ' 201' ' ' ALA . . . -110.95 159.09 13.98 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 105.765 -2.934 . . . . 31.25 105.765 178.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 49' ' ' GLY . . . . . . . . . . . . . . . -152.74 -160.03 9.39 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 105.718 -2.953 . . . . 30.69 105.718 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 50' ' ' ILE . . . . . 0.93 HG12 HG13 ' I' ' 210' ' ' VAL 0.496 2.1 pp -69.98 -34.35 59.44 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.128 1 CA-C-O 104.742 -7.313 . . . . 46.74 113.139 -179.5 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' E' E ' 51' ' ' GLY . . . . . . . . . . . . . . . -96.38 -9.45 56.74 Favored Glycine 1 C--N 1.253 -4.037 2 CA-C-N 142.049 11.295 . . . . 38.74 113.663 179.627 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' E' E ' 52' ' ' GLY . . . . . . . . . . . . . . . 165.39 -150.68 18.72 Favored Glycine 0 N--CA 1.481 1.642 0 C-N-CA 117.623 -2.227 . . . . 37.66 112.822 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 53' ' ' PHE . . . . . 0.712 ' CD1' ' N ' ' E' ' 53' ' ' PHE . 0.1 OUTLIER -117.83 136.03 53.69 Favored 'General case' 0 C--N 1.304 -1.406 0 C-N-CA 128.42 2.688 . . . . 43.72 109.681 -178.862 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 54' ' ' ILE . . . . . 0.637 HD11 HD11 ' E' ' 47' ' ' ILE . 12.8 pt -124.55 151.76 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.18 0 N-CA-C 102.156 -3.275 . . . . 42.19 102.156 177.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 55' ' ' LYS . . . . . 0.659 ' CE ' ' O ' ' E' ' 107' ' ' HOH . 0.0 OUTLIER -94.47 138.99 31.73 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 103.83 -2.656 . . . . 39.65 103.83 178.996 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.54 179.07 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 N-CA-C 106.599 -1.63 . . . . 35.68 106.599 -179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 57' ' ' ARG . . . . . 0.614 ' HB3' ' CE3' ' E' ' 42' ' ' TRP . 4.5 mtt180 -120.46 129.29 53.8 Favored 'General case' 0 CA--C 1.553 1.071 1 O-C-N 130.361 4.788 . . . . 64.07 106.26 177.735 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 58' ' ' GLN . . . . . 0.668 HE21 ' HD2' ' E' ' 45' ' ' LYS 0.423 0.0 OUTLIER -97.9 135.47 39.59 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 126.683 3.135 . . . . 50.74 107.62 179.272 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' E' E ' 59' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -126.82 127.43 44.98 Favored 'General case' 0 C--O 1.259 1.574 1 CA-C-N 107.304 -4.498 . . . . 39.97 101.883 179.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -112.01 158.33 19.67 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 111.717 -2.492 . . . . 55.08 106.034 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 61' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 62.11 33.07 17.24 Favored 'General case' 0 C--O 1.266 1.936 0 O-C-N 127.863 3.227 . . . . 47.7 111.092 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 6.9 mm -89.84 131.29 37.48 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.071 0 O-C-N 124.99 1.431 . . . . 34.96 110.234 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 63' ' ' LEU . . . . . . . . . . . . . 24.9 tp -86.04 135.82 33.48 Favored 'General case' 0 N--CA 1.419 -2.003 0 C-N-CA 127.575 2.35 . . . . 31.76 106.921 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 64' ' ' ILE . . . . . 1.1 HG12 HG23 ' E' ' 15' ' ' ILE . 22.8 mt -144.65 145.77 20.9 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 O-C-N 126.346 2.279 . . . . 42.67 109.068 177.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 65' ' ' GLU . . . . . 0.451 ' HG2' ' HG2' ' E' ' 70' ' ' LYS . 4.7 mt-10 -116.45 103.71 10.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 105.792 -1.929 . . . . 47.11 105.792 177.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 66' ' ' ILE . . . . . 0.454 HG13 HG22 ' E' ' 64' ' ' ILE . 13.3 mt -97.66 111.48 27.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 O-C-N 129.027 3.954 . . . . 31.63 106.816 179.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 67' ' ' CYS . . . . . 0.547 ' C ' ' O ' ' E' ' 103' ' ' HOH . 1.6 t 46.86 55.1 8.27 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 107.699 -1.223 . . . . 53.74 107.699 179.216 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 68' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' E' ' 103' ' ' HOH . . . 73.44 -15.31 2.78 Favored Glycine 0 C--O 1.272 2.518 0 CA-C-O 116.169 -2.462 . . . . 40.44 113.818 179.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.47 124.3 33.3 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 122.442 3.121 . . . . 46.16 110.094 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 70' ' ' LYS . . . . . 0.451 ' HG2' ' HG2' ' E' ' 65' ' ' GLU . 13.3 mttt -87.05 149.01 25.03 Favored 'General case' 0 C--N 1.306 -1.291 0 O-C-N 126.143 2.152 . . . . 54.2 106.48 -179.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 71' ' ' ALA . . . . . . . . . . . . . . . -161.62 158.0 25.49 Favored 'General case' 0 C--N 1.291 -1.964 1 O-C-N 131.061 5.225 . . . . 26.87 105.492 -179.867 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 72' ' ' ILE . . . . . 0.463 ' H ' HE22 ' E' ' 92' ' ' GLN . 3.4 mt -129.11 139.05 52.88 Favored 'Isoleucine or valine' 0 C--O 1.262 1.734 0 O-C-N 126.677 2.486 . . . . 27.94 106.763 177.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 73' ' ' GLY . . . . . . . . . . . . . . . 175.39 -168.36 40.77 Favored Glycine 0 N--CA 1.486 2.016 0 C-N-CA 114.997 -3.478 . . . . 21.77 109.404 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 74' ' ' THR . . . . . . . . . . . . . 22.5 m -81.99 132.06 35.25 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 109.695 -3.253 . . . . 30.82 107.883 179.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 75' ' ' VAL . . . . . . . . . . . . . 46.8 t -131.92 124.97 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.625 1 C-N-CA 133.216 4.607 . . . . 26.42 110.462 179.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 76' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' E' ' 32' ' ' VAL . 91.4 mt -104.41 129.63 52.34 Favored 'General case' 0 C--O 1.251 1.183 0 CA-C-N 114.895 -1.048 . . . . 30.9 109.684 179.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 77' ' ' VAL . . . . . . . . . . . . . 26.7 t -112.45 136.18 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.402 0 N-CA-C 107.173 -1.417 . . . . 32.79 107.173 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.45 -168.02 38.9 Favored Glycine 0 N--CA 1.47 0.957 0 CA-C-O 124.069 1.927 . . . . 34.33 113.503 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 79' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' E' ' 54' ' ' ILE . 7.8 Cg_endo -83.82 74.82 4.35 Favored 'Trans proline' 0 CA--C 1.496 -1.415 0 C-N-CA 122.388 2.059 . . . . 36.15 114.789 -177.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 80' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' E' ' 81' ' ' PRO . 1.1 t -107.74 146.0 32.49 Favored Pre-proline 0 N--CA 1.479 1.022 0 N-CA-C 105.158 -2.164 . . . . 35.69 105.158 179.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 81' ' ' PRO . . . . . 0.565 ' HG2' ' H21' ' I' ' 205' ' ' PJJ . 1.0 OUTLIER -69.12 -23.98 33.13 Favored 'Trans proline' 0 C--N 1.319 -0.986 0 O-C-N 125.0 2.053 . . . . 33.63 109.911 178.698 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 82' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.43 158.42 21.99 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.148 1.379 . . . . 32.94 112.478 179.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 83' ' ' ASN . . . . . 0.535 ' OD1' ' HG3' ' E' ' 34' ' ' GLU . 82.4 m-20 -81.65 120.59 25.28 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 101.212 -3.625 . . . . 25.93 101.212 177.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 84' ' ' ILE . . . . . 0.818 HD12 ' O ' ' E' ' 108' ' ' HOH . 62.4 mt -113.46 129.91 68.4 Favored 'Isoleucine or valine' 0 C--O 1.255 1.359 0 O-C-N 126.683 2.49 . . . . 21.59 113.739 -178.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 85' ' ' ILE . . . . . 0.457 ' CG2' ' O ' ' E' ' 109' ' ' HOH . 47.6 mm -102.41 112.44 35.72 Favored 'Isoleucine or valine' 0 C--O 1.25 1.081 0 N-CA-C 102.558 -3.127 . . . . 21.89 102.558 176.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 86' ' ' GLY . . . . . 0.656 ' N ' ' O ' ' E' ' 109' ' ' HOH . . . -98.48 -178.58 32.59 Favored Glycine 0 C--N 1.285 -2.262 1 CA-C-O 130.35 5.417 . . . . 18.9 118.65 179.519 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 87' ' ' ARG . . . . . . . . . . . . 0.309 28.0 mtm105 -51.83 -34.68 41.52 Favored 'General case' 0 C--O 1.265 1.914 0 N-CA-C 119.826 3.269 . . . . 24.83 119.826 -176.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -59.74 -34.92 73.57 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-O 122.421 1.105 . . . . 29.74 110.718 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 89' ' ' LEU . . . . . 0.714 ' HB2' ' O ' ' E' ' 109' ' ' HOH 0.345 74.4 mt -89.38 -47.49 7.98 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 117.134 -1.413 . . . . 40.71 112.931 178.808 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 90' ' ' LEU . . . . . . . . . . . . . 28.2 mt -49.33 -35.66 18.98 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.95 2.309 . . . . 22.79 114.608 -178.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 91' ' ' THR . . . . . . . . . . . . . 46.3 p -67.6 -44.07 78.97 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 112.274 -2.239 . . . . 28.12 106.623 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 92' ' ' GLN . . . . . 0.463 HE22 ' H ' ' E' ' 72' ' ' ILE . 35.9 mt-30 -55.35 -36.01 65.85 Favored 'General case' 0 C--O 1.257 1.474 0 C-N-CA 116.549 -2.06 . . . . 43.82 116.202 -179.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 93' ' ' ILE . . . . . . . . . . . . 0.304 1.8 pt -92.63 12.03 2.86 Favored 'Isoleucine or valine' 0 C--O 1.28 2.682 0 N-CA-C 116.837 2.162 . . . . 30.42 116.837 -179.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 94' ' ' GLY . . . . . . . . . . . . . . . 61.35 34.42 88.16 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 126.496 1.998 . . . . 25.67 116.294 177.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 95' ' ' CYS . . . . . . . . . . . . . 51.7 t -78.18 126.18 30.42 Favored 'General case' 0 C--N 1.292 -1.894 0 C-N-CA 127.586 2.354 . . . . 35.36 114.033 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 96' ' ' THR . . . . . . . . . . . . . 68.6 p -130.97 165.06 23.97 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.401 -1.72 . . . . 24.79 111.512 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tp -103.73 133.35 48.88 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.484 -2.413 . . . . 28.6 104.484 178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 98' ' ' ASN . . . . . 0.561 ' N ' ' ND2' ' E' ' 98' ' ' ASN . 0.1 OUTLIER -134.64 143.71 47.45 Favored 'General case' 0 C--O 1.206 -1.225 0 N-CA-C 106.707 -1.59 . . . . 44.47 106.707 179.964 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' E' E ' 99' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' E' ' 99' ' ' PHE . 26.2 p90 . . . . . 0 C--O 1.282 2.806 0 O-C-N 127.674 3.109 . . . . 39.69 109.946 179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 201' ' ' ALA . . . . . 0.907 ' N ' ' OD2' ' E' ' 29' ' ' ASP . . . . . . . . 0 CA--C 1.561 1.365 0 CA-C-O 114.581 -2.628 . . . . 18.0 112.095 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 202' ' ' ALA . . . . . . . . . . . . . . . -62.11 113.53 2.9 Favored 'General case' 0 N--CA 1.387 -3.581 2 C-N-CA 151.402 11.881 . . . . 18.01 111.996 -176.241 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 205' ' ' PJJ . . . . . 0.767 ' C19' ' O ' ' I' ' 211' ' ' VME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 210' ' ' VAL . . . . . 0.93 HG13 HG12 ' E' ' 50' ' ' ILE . 1.3 t -120.28 129.71 75.2 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.244 0 N-CA-C 103.974 -2.602 . . . . 18.02 103.974 176.709 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 211' ' ' VME . . . . . 0.767 ' O ' ' C19' ' I' ' 205' ' ' PJJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . 0.796 ' O ' ' HD2' ' E' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . 0.554 ' O ' ' N ' ' E' ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 106' ' ' HOH . . . . . 0.405 ' O ' ' HE2' ' E' ' 14' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 107' ' ' HOH . . . . . 0.659 ' O ' ' CE ' ' E' ' 55' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 108' ' ' HOH . . . . . 0.818 ' O ' HD12 ' E' ' 84' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 109' ' ' HOH . . . . . 0.714 ' O ' ' HB2' ' E' ' 89' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 111' ' ' HOH . . . . . 0.577 ' O ' ' CZ ' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 113' ' ' HOH . . . . . 0.68 ' O ' ' NE1' ' E' ' 6' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 116' ' ' HOH . . . . . 0.656 ' O ' ' OE1' ' E' ' 7' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 118' ' ' HOH . . . . . 0.943 ' O ' ' HD2' ' E' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_